3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate

C21H28O6Si2 — CID 102349948

IUPAC3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O)(OC)O[Si](OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O6Si2/c1-18(2)21(22)26-16-11-17-28(23,24-3)27-29(25-4,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,23H,1,11,16-17H2,2-4H3
InChIKeyVMIJBTQRZHCYHX-UHFFFAOYSA-N
MW432.62 g/mol
LogP1.99
Rot. Bonds11

About 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate

3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate (PubChem CID 102349948) has the molecular formula C21H28O6Si2 and a molecular weight of 432.62 g/mol. Its IUPAC name is 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
PubChem CID102349948
Molecular FormulaC21H28O6Si2
Molecular Weight432.62 g/mol
Exact Mass432.14
IUPAC Name3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](O)(OC)O[Si](OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O6Si2/c1-18(2)21(22)26-16-11-17-28(23,24-3)27-29(25-4,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,23H,1,11,16-17H2,2-4H3
InChIKeyVMIJBTQRZHCYHX-UHFFFAOYSA-N
XLogP1.99
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
3-[[[[hydroperoxy(dimethoxy)silyl]oxy-methoxy-phenylsilyl]oxy-methoxy-methylsilyl]oxy-hydroxy-methoxysilyl]propyl 2-methylprop-2-enoate
CID 176804843
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977927
3-[diphenyl(silyloxy)silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 175109238

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate (CID 102349948) is 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O)(OC)O[Si](OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
The InChIKey is VMIJBTQRZHCYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O6Si2/c1-18(2)21(22)26-16-11-17-28(23,24-3)27-29(25-4,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,23H,1,11,16-17H2,2-4H3.
What are the key properties of 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate?
3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate has a molecular weight of 432.62 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 102349948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).